1-(3-phenoxypropyl)-4-piperidin-1-ylpiperidine

C19H30N2O — CID 24744901

IUPAC1-(3-phenoxypropyl)-4-piperidin-1-ylpiperidine
SMILESc1ccc(OCCCN2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C19H30N2O/c1-3-8-19(9-4-1)22-17-7-12-20-15-10-18(11-16-20)21-13-5-2-6-14-21/h1,3-4,8-9,18H,2,5-7,10-17H2
InChIKeyGCJKCPQHXFIKIF-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.41
Rot. Bonds6

About 1-(3-phenoxypropyl)-4-piperidin-1-ylpiperidine

1-(3-phenoxypropyl)-4-piperidin-1-ylpiperidine (PubChem CID 24744901) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-(3-phenoxypropyl)-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-(3-phenoxypropyl)-4-piperidin-1-ylpiperidine
PubChem CID24744901
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-(3-phenoxypropyl)-4-piperidin-1-ylpiperidine
SMILESc1ccc(OCCCN2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C19H30N2O/c1-3-8-19(9-4-1)22-17-7-12-20-15-10-18(11-16-20)21-13-5-2-6-14-21/h1,3-4,8-9,18H,2,5-7,10-17H2
InChIKeyGCJKCPQHXFIKIF-UHFFFAOYSA-N
XLogP3.41
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxypropyl)-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-(3-phenoxypropyl)-4-piperidin-1-ylpiperidine (CID 24744901) is 1-(3-phenoxypropyl)-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-(3-phenoxypropyl)-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-(3-phenoxypropyl)-4-piperidin-1-ylpiperidine is c1ccc(OCCCN2CCC(N3CCCCC3)CC2)cc1.
What is the InChIKey of 1-(3-phenoxypropyl)-4-piperidin-1-ylpiperidine?
The InChIKey is GCJKCPQHXFIKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-3-8-19(9-4-1)22-17-7-12-20-15-10-18(11-16-20)21-13-5-2-6-14-21/h1,3-4,8-9,18H,2,5-7,10-17H2.
What are the key properties of 1-(3-phenoxypropyl)-4-piperidin-1-ylpiperidine?
1-(3-phenoxypropyl)-4-piperidin-1-ylpiperidine has a molecular weight of 302.46 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxypropyl)-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 24744901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).